jarvis.tasks package

Subpackages

• jarvis.tasks.boltztrap package
  • Submodules
  • jarvis.tasks.boltztrap.run module
  • Module contents
• jarvis.tasks.lammps package
  • Subpackages
    • jarvis.tasks.lammps.templates package
      • Submodules
      • jarvis.tasks.lammps.templates.templates module
      • Module contents
  • Submodules
  • jarvis.tasks.lammps.lammps module
  • Module contents
• jarvis.tasks.phonopy package
  • Submodules
  • jarvis.tasks.phonopy.run module
  • Module contents
• jarvis.tasks.vasp package
  • Submodules
  • jarvis.tasks.vasp.vasp module
  • Module contents

Submodules

jarvis.tasks.queue_jobs module

Modules for job submission.

class jarvis.tasks.queue_jobs.Queue(q_type='head_node', q_parameters={}, job_sub_cmd=None, job_check_cmd='', job_id='')

Bases: object

Construct HPC Job class.

classmethod from_dict(d={})

Load from a dictionary.

head_node(submit_cmd=None)

Select if run on the head node, not recommended.

classmethod pbs(filename='submit_job', shell='#!/bin/bash', nnodes=1, cores=16, walltime=None, queue=None, account=None, group_name=None, jobname='myJob', jobout='job.out', joberr='job.err', memory=None, email=None, pre_job_lines=None, directory=None, env=None, job_line='echo I am here', post_job_lines=None, submit_cmd=None)

Select if run using PBS script.

classmethod slurm(filename='submit_job', shell='#!/bin/bash', nnodes=1, cores=16, walltime=None, queue=None, account=None, group_name=None, jobname='myJob', jobout='job.out', joberr='job.err', memory=None, email=None, pre_job_lines=None, directory=None, env=None, job_line='echo I am here', post_job_lines=None, submit_cmd=None)

Select if run using SLURM script.

to_dict()

Convert class to a dictionary.

Module contents

Modules for calculation jon submissions.